CAS Number: 1067-33-0
SMILES : CCCC[Sn](CCCC)(OC(=O)(C))OC(=O)(C)
CHEM   : Dibutyl tin diacetate
MOL FOR: C12 H24 O4 Sn1 
MOL WT : 351.03
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  0.81
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  291.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  55.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00301  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.401  (Modified Grain method)
    MP  (exp database):  10 deg C
    BP  (exp database):  130 @ 2.25 mm Hg deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1233
       log Kow used: 0.81 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6 mg/L (20 deg C)
        Exper. Ref:  BLUNDEN,SJ ET AL. (1984)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  274.7 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       SHOULD NOT BE PROFILED 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.58E-004  atm-m3/mole  (5.65E+001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.128E-006 atm-m3/mole  (1.142E-001 Pa-m3/mole)
      VP:   0.00301 mm Hg (source: MPBPVP)
      WS:   1.23E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.81  (KowWin est)
  Log Kaw used:  -1.642  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.452
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7973
   Biowin2 (Non-Linear Model)     :   0.8470
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0201  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8794  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0983
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0383
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.401 Pa (0.00301 mm Hg)
  Log Koa (Koawin est  ): 2.452
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.48E-006 
       Octanol/air (Koa) model:  6.95E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00027 
       Mackay model           :  0.000598 
       Octanol/air (Koa) model:  5.56E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.5190 E-12 cm3/molecule-sec
      Half-Life =     0.375 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.501 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000434 (Junge-Pankow, Mackay avg)
      5.56E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  34.44  L/kg (MCI method)
      Log Koc:  1.537       (MCI method)
      Koc    :  8.214  L/kg (Kow method)
      Log Koc:  0.915       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.000 (BCF = 100 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9933 days (HL = 0.1015 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.160 (BCF = 1.445)
   Log BAF Arnot-Gobas method (upper trophic) = 0.160 (BAF = 1.445)
       log Kow used: 0.81 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000558 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.878  hours
    Half-Life from Model Lake :      199.4  hours   (8.308 days)
 
 Removal In Wastewater Treatment:
    Total removal:              21.14  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.48  percent
    Total to Air:               19.59  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.15            9            1000       
   Water     40.8            360          1000       
   Soil      54.9            720          1000       
   Sediment  0.133           3.24e+003    0          
     Persistence Time: 188 hr